CID 137245239

2-(pyrrolidin-1-yl)-6-(pyrrolidin-3-yl)pyrimidin-4-ol dihydrochloride

Structural Information

Molecular Formula
C12H18N4O
SMILES
C1CCN(C1)C2=NC(=CC(=O)N2)C3CCNC3
InChI
InChI=1S/C12H18N4O/c17-11-7-10(9-3-4-13-8-9)14-12(15-11)16-5-1-2-6-16/h7,9,13H,1-6,8H2,(H,14,15,17)
InChIKey
BSDFSBRXNLVIOC-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-4-pyrrolidin-3-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.14806 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.155336 154.7
[M+Na]+ 257.137278 160.3
[M-H]- 233.140784 156.2
[M+NH4]+ 252.181883 168.5
[M+K]+ 273.111218 155.4
[M+H-H2O]+ 217.145320 144.8
[M+HCOO]- 279.146261 169.0
[M+CH3COO]- 293.161911 164.1
[M+Na-2H]- 255.122726 153.7
[M]+ 234.14751142 146.4
[M]- 234.14860858 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.